>compound Delphinidin-3-O-beta-glucopyranoside_Delphinidin-3-O-beta-glucopyranoside
#instrument UPLC Q-Tof Premier, Waters
>formula C21H21O12
#smiles OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc(c3)c([o+1]c(c4)c(c(O)cc(O)4)3)c(c2)cc(O)c(O)c(O)2
#RECORD LC-ESI-QTOF_train_data/PR100912.txt;LC-ESI-QTOF_train_data/PR100454.txt
>charge -1
>ionization [M-2H]-
>parentmass 463.08767

>collision 5-60
125.0252 34.0
147.0079 19.35
227.0337 19.28
255.0306 23.22
271.0269 39.74
299.0197 28.84
300.0284 212.2
301.0357 98.8
463.0877 157.5

>collision 5-60
229.0512 57.28
303.0506 989.9
465.1033 133.3

